HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1059",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1057",
"results": [
{
"id": "jvasp-52333",
"created_at": "2022-09-04T14:37:08.788906Z",
"updated_at": "2022-09-04T14:37:08.788927Z",
"structure_string": "Li4 Cu4 S4\n1.0\n3.971358 0.000000 0.000000\n0.000000 6.619019 0.000000\n0.000000 0.000000 7.788615\nLi Cu S\n4 4 4\ndirect\n0.000000 0.111726 0.076236 Li\n0.000000 0.888274 0.576236 Li\n0.500000 0.388230 0.899001 Li\n0.500000 0.611770 0.399002 Li\n0.000000 0.487258 0.204106 Cu\n0.000000 0.512742 0.704106 Cu\n0.500000 0.987308 0.271347 Cu\n0.500000 0.012692 0.771347 Cu\n0.000000 0.820845 0.273527 S\n0.000000 0.179155 0.773527 S\n0.500000 0.320826 0.201751 S\n0.500000 0.679174 0.701751 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.327057605076295,
"density_atomic": 0.058612243217066345,
"volume": 204.73538191600753,
"volume_molar": 10.2745440704213,
"formula_full": "Li4 Cu4 S4",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3855168166666668,
"spacegroup": 62
},
{
"id": "jvasp-34555",
"created_at": "2022-09-04T14:37:08.954133Z",
"updated_at": "2022-09-04T14:37:08.954153Z",
"structure_string": "Y4 Se4 F4\n1.0\n5.698844 0.000000 0.000000\n-0.000000 5.745745 0.000000\n0.000000 0.000000 7.673607\nY Se F\n4 4 4\ndirect\n0.250000 0.871954 0.821264 Y\n0.749999 0.371955 0.678736 Y\n0.749999 0.128045 0.178736 Y\n0.250000 0.628045 0.321264 Y\n0.749999 0.619722 0.327344 Se\n0.250000 0.119723 0.172656 Se\n0.749999 0.880276 0.827344 Se\n0.250000 0.380277 0.672656 Se\n0.250000 0.870673 0.538450 F\n0.250000 0.629326 0.038449 F\n0.749999 0.129327 0.461551 F\n0.749999 0.370673 0.961551 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Se",
"F"
],
"chemical_system": "F-Se-Y",
"density": 4.939723596263778,
"density_atomic": 0.047758268871203324,
"volume": 251.26538887668116,
"volume_molar": 12.60962949942927,
"formula_full": "Y4 Se4 F4",
"formula_reduced": "YSeF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2464963663888888,
"spacegroup": 62
},
{
"id": "jvasp-54642",
"created_at": "2022-09-04T14:37:09.010896Z",
"updated_at": "2022-09-04T14:37:09.010916Z",
"structure_string": "Tb12 Ni4\n1.0\n6.275412 -0.000000 0.000000\n0.000000 6.807285 0.000000\n0.000000 0.000000 9.561384\nTb Ni\n12 4\ndirect\n0.141447 0.031423 0.250000 Tb\n0.641447 0.468577 0.750000 Tb\n0.323913 0.820907 0.565036 Tb\n0.676087 0.179092 0.434963 Tb\n0.358553 0.531422 0.250000 Tb\n0.858553 0.968577 0.750000 Tb\n0.823912 0.679091 0.065036 Tb\n0.676087 0.179092 0.065036 Tb\n0.323913 0.820907 0.934963 Tb\n0.823912 0.679091 0.434963 Tb\n0.176087 0.320908 0.934963 Tb\n0.176087 0.320908 0.565036 Tb\n0.560396 0.888995 0.250000 Ni\n0.060396 0.611004 0.750000 Ni\n0.439603 0.111004 0.750000 Ni\n0.939603 0.388995 0.250000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ni"
],
"chemical_system": "Ni-Tb",
"density": 8.707767988382205,
"density_atomic": 0.0391726583464895,
"volume": 408.4481542834546,
"volume_molar": 15.373326739107254,
"formula_full": "Tb12 Ni4",
"formula_reduced": "Tb3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2599719,
"spacegroup": 62
},
{
"id": "jvasp-13857",
"created_at": "2022-09-04T14:37:09.086056Z",
"updated_at": "2022-09-04T14:37:09.086075Z",
"structure_string": "Er4 Ga4 Co4\n1.0\n4.089703 -0.000000 0.000000\n-0.000000 6.627345 0.000000\n0.000000 0.000000 7.542302\nEr Ga Co\n4 4 4\ndirect\n0.250000 0.525542 0.685478 Er\n0.250000 0.025542 0.814521 Er\n0.750000 0.974459 0.185478 Er\n0.750000 0.474458 0.314522 Er\n0.750000 0.343653 0.934068 Ga\n0.250000 0.156348 0.434068 Ga\n0.250000 0.656348 0.065932 Ga\n0.750000 0.843653 0.565932 Ga\n0.750000 0.227989 0.616122 Co\n0.250000 0.772011 0.383878 Co\n0.750000 0.727990 0.883878 Co\n0.250000 0.272011 0.116122 Co\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Co"
],
"chemical_system": "Co-Er-Ga",
"density": 9.614818444471938,
"density_atomic": 0.05870106475045718,
"volume": 204.42559348817502,
"volume_molar": 10.258997491102745,
"formula_full": "Er4 Ga4 Co4",
"formula_reduced": "ErGaCo",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0667777416666668,
"spacegroup": 62
},
{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.4986330409112627,
"density_atomic": 0.09765900490838235,
"volume": 286.71191178189736,
"volume_molar": 6.166498179711744,
"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.623872857142858,
"spacegroup": 62
},
{
"id": "jvasp-11154",
"created_at": "2022-09-04T14:37:09.388953Z",
"updated_at": "2022-09-04T14:37:09.388986Z",
"structure_string": "Ba8 Ge4\n1.0\n5.416558 -0.000000 0.000000\n0.000000 8.432030 0.000000\n0.000000 0.000000 10.166322\nBa Ge\n8 4\ndirect\n0.750000 0.352826 0.083972 Ba\n0.250000 0.647174 0.916028 Ba\n0.750000 0.852826 0.416028 Ba\n0.250000 0.147174 0.583972 Ba\n0.250000 0.019831 0.172850 Ba\n0.750000 0.980169 0.827150 Ba\n0.250000 0.519831 0.327150 Ba\n0.750000 0.480169 0.672850 Ba\n0.250000 0.748043 0.600574 Ge\n0.750000 0.251957 0.399426 Ge\n0.250000 0.248043 0.899426 Ge\n0.750000 0.751957 0.100574 Ge\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 4.968061542775785,
"density_atomic": 0.02584412566178312,
"volume": 464.32215030377074,
"volume_molar": 23.301777892626532,
"formula_full": "Ba8 Ge4",
"formula_reduced": "Ba2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-8757",
"created_at": "2022-09-04T14:37:09.425625Z",
"updated_at": "2022-09-04T14:37:09.425657Z",
"structure_string": "H4 Br4\n1.0\n5.247532 0.000000 0.000000\n0.000000 5.397393 0.000000\n0.000000 0.000000 6.190164\nH Br\n4 4\ndirect\n0.940166 0.442629 0.750081 H\n0.440166 0.057371 0.249918 H\n0.559833 0.557371 0.250082 H\n0.059833 0.942629 0.749918 H\n0.257386 0.751841 0.750095 Br\n0.742614 0.251841 0.749904 Br\n0.757386 0.748158 0.249905 Br\n0.242614 0.248158 0.250095 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 3.065352410497358,
"density_atomic": 0.04562981360081039,
"volume": 175.32396844719784,
"volume_molar": 13.1978202073853,
"formula_full": "H4 Br4",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.7355670525000001,
"spacegroup": 62
},
{
"id": "jvasp-49177",
"created_at": "2022-09-04T14:37:09.447349Z",
"updated_at": "2022-09-04T14:37:09.447382Z",
"structure_string": "K4 P4 O12\n1.0\n4.476448 -0.000000 0.000000\n0.000000 5.822208 0.000000\n0.000000 0.000000 12.318473\nK P O\n4 4 12\ndirect\n0.219925 0.750000 0.594884 K\n0.719925 0.750000 0.905116 K\n0.780075 0.250000 0.405116 K\n0.280075 0.250000 0.094884 K\n0.667616 0.250000 0.671207 P\n0.167616 0.250000 0.828793 P\n0.332384 0.750000 0.328793 P\n0.832385 0.750000 0.171207 P\n0.271220 0.972236 0.385528 O\n0.771220 0.527765 0.114472 O\n0.228780 0.472235 0.885528 O\n0.728780 0.027765 0.614472 O\n0.771220 0.972236 0.114472 O\n0.818550 0.250000 0.791590 O\n0.181450 0.750000 0.208410 O\n0.681450 0.750000 0.291590 O\n0.228780 0.027765 0.885528 O\n0.318550 0.250000 0.708410 O\n0.271220 0.527765 0.385528 O\n0.728780 0.472235 0.614472 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.442707574979362,
"density_atomic": 0.06229480907363256,
"volume": 321.0540380075645,
"volume_molar": 9.667163042239716,
"formula_full": "K4 P4 O12",
"formula_reduced": "KPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5053848,
"spacegroup": 62
},
{
"id": "jvasp-27786",
"created_at": "2022-09-04T14:37:09.758524Z",
"updated_at": "2022-09-04T14:37:09.758545Z",
"structure_string": "Na4 Te4 F20\n1.0\n5.892940 -0.000000 0.000000\n0.000000 7.079529 0.000000\n0.000000 0.000000 10.349929\nNa Te F\n4 4 20\ndirect\n0.250000 0.318897 0.997239 Na\n0.750000 0.681104 0.002761 Na\n0.750000 0.818897 0.502761 Na\n0.250000 0.181103 0.497239 Na\n0.250000 0.648435 0.265240 Te\n0.750000 0.351565 0.734760 Te\n0.750000 0.148435 0.234760 Te\n0.250000 0.851565 0.765240 Te\n0.513965 0.140679 0.098889 F\n0.021219 0.547248 0.134745 F\n0.521219 0.452752 0.865255 F\n0.478781 0.547248 0.134745 F\n0.478781 0.952752 0.634745 F\n0.978781 0.452752 0.865255 F\n0.013965 0.859321 0.901111 F\n0.978781 0.047248 0.365255 F\n0.486035 0.640680 0.401111 F\n0.513965 0.359321 0.598889 F\n0.486035 0.859321 0.901111 F\n0.986035 0.140679 0.098889 F\n0.021219 0.952752 0.634745 F\n0.013965 0.640680 0.401111 F\n0.250000 0.117950 0.805390 F\n0.750000 0.882050 0.194610 F\n0.750000 0.617950 0.694610 F\n0.250000 0.382050 0.305390 F\n0.986035 0.359321 0.598889 F\n0.521219 0.047248 0.365255 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Te",
"F"
],
"chemical_system": "F-Na-Te",
"density": 3.7777349670150273,
"density_atomic": 0.06484616192150955,
"volume": 431.7911680554276,
"volume_molar": 9.286811403409288,
"formula_full": "Na4 Te4 F20",
"formula_reduced": "NaTeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-11009",
"created_at": "2022-09-04T14:37:10.167361Z",
"updated_at": "2022-09-04T14:37:10.167382Z",
"structure_string": "Y4 Cu4 S8\n1.0\n3.962986 0.000000 0.000000\n0.000000 6.272162 0.000000\n0.000000 0.000000 13.429740\nY Cu S\n4 4 8\ndirect\n0.249752 0.750724 0.633770 Y\n0.749752 0.749275 0.366230 Y\n0.750249 0.250724 0.866230 Y\n0.250249 0.249276 0.133770 Y\n0.750496 0.627907 0.046713 Cu\n0.249505 0.127907 0.453287 Cu\n0.250496 0.872093 0.953287 Cu\n0.749505 0.372093 0.546713 Cu\n0.749775 0.511380 0.705521 S\n0.249774 0.988620 0.294479 S\n0.250226 0.011380 0.794479 S\n0.750227 0.488620 0.205521 S\n0.749721 0.994730 0.539982 S\n0.750280 0.005270 0.039982 S\n0.250280 0.494730 0.960018 S\n0.249721 0.505270 0.460018 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Cu",
"S"
],
"chemical_system": "Cu-S-Y",
"density": 4.309468771745185,
"density_atomic": 0.047930567687444435,
"volume": 333.81620064122984,
"volume_molar": 12.564300926436802,
"formula_full": "Y4 Cu4 S8",
"formula_reduced": "YCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1904739749999995,
"spacegroup": 62
},
{
"id": "jvasp-45530",
"created_at": "2022-09-04T14:37:10.220546Z",
"updated_at": "2022-09-04T14:37:10.220564Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.283861 0.000000 0.000000\n0.000000 5.357856 0.000000\n0.000000 0.000000 7.492006\nCa Cr O\n4 4 12\ndirect\n0.008274 0.041803 0.750000 Ca\n0.508274 0.458198 0.250000 Ca\n0.491726 0.541803 0.750000 Ca\n0.991726 0.958198 0.250000 Ca\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.790786 0.210071 0.037705 O\n0.290786 0.289929 0.962295 O\n0.709214 0.710071 0.037705 O\n0.209214 0.789930 0.962295 O\n0.790786 0.210071 0.462295 O\n0.572165 0.986024 0.750000 O\n0.927835 0.486024 0.750000 O\n0.427835 0.013976 0.250000 O\n0.709214 0.710071 0.462295 O\n0.072165 0.513977 0.250000 O\n0.290786 0.289929 0.537705 O\n0.209214 0.789930 0.537705 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.3865270384541155,
"density_atomic": 0.09429517214411957,
"volume": 212.09993624522204,
"volume_molar": 6.386478356278765,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.936275664,
"spacegroup": 62
},
{
"id": "jvasp-43453",
"created_at": "2022-09-04T14:37:10.237140Z",
"updated_at": "2022-09-04T14:37:10.237160Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.259435 0.000000 0.000000\n-0.000000 5.221685 0.000000\n0.000000 0.000000 7.796842\nLi Fe F\n4 4 12\ndirect\n0.979078 0.979312 0.250000 Li\n0.520923 0.479313 0.750000 Li\n0.479078 0.520686 0.250000 Li\n0.020923 0.020687 0.750000 Li\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.168843 0.157543 0.076212 F\n0.331158 0.657543 0.923788 F\n0.331158 0.657543 0.576211 F\n0.384845 0.135791 0.750000 F\n0.615156 0.864209 0.250000 F\n0.831158 0.842456 0.923788 F\n0.668843 0.342456 0.076212 F\n0.831158 0.842456 0.576211 F\n0.168843 0.157543 0.423788 F\n0.884846 0.364209 0.750000 F\n0.668843 0.342456 0.423788 F\n0.115155 0.635790 0.250000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.715602858280351,
"density_atomic": 0.0934031452148369,
"volume": 214.12555170383106,
"volume_molar": 6.447471063365643,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2988212695000001,
"spacegroup": 62
}
]
}